2-(2,4-Difluorophenyl)propan-2-ol

Base Information

• Chemical Name: 2-(2,4-Difluorophenyl)propan-2-ol
• CAS No.: 51788-81-9
• Molecular Formula: C9H10F2O
• Molecular Weight: 172.175
• European Community (EC) Number: 845-487-8
• DSSTox Substance ID: DTXSID10442997
• Nikkaji Number: J690.955H
• Wikidata: Q82260652
• Mol file: 51788-81-9.mol

Synonyms:2-(2,4-difluorophenyl)propan-2-ol;51788-81-9;2-(2,4-Difluoro-phenyl)-propan-2-ol;SCHEMBL1507033;DTXSID10442997;SLTYBPUHHHXDGF-UHFFFAOYSA-N;AKOS012095531;FT-0666815;EN300-135345;2,4-Difluoro-alpha,alpha-dimethylbenzenemethanol;2,4-Difluoro-alpha,alpha-dimethyl-benzene methanol

Chemical Property of 2-(2,4-Difluorophenyl)propan-2-ol

Chemical Property:

• Boiling Point: 216.4±25.0 °C(Predicted)
• PKA: 13.95±0.29(Predicted)
• PSA: 20.23000
• Density: 1.182±0.06 g/cm3(Predicted)
• LogP: 2.19220
• Solubility.: Chloroform, Dichloromethane, Ether, Ethyl Acetate
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 172.06997126
• Heavy Atom Count: 12
• Complexity: 159

Purity/Quality:

95% ^*data from raw suppliers

2-(2,4-Difluorophenyl)propan-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C1=C(C=C(C=C1)F)F)O

Technology Process of 2-(2,4-Difluorophenyl)propan-2-ol

There total 4 articles about 2-(2,4-Difluorophenyl)propan-2-ol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

2',4'-difluoroacetophenone (364-83-0) + methylmagnesium bromide (75-16-1) → 2-(2,4-difluorophenyl)propan-2-ol (51788-81-9)

Guidance literature:

2',4'-difluoroacetophenone; methylmagnesium bromide; In diethyl ether; at 0 - 20 ℃;

With water; In diethyl ether;

Reference yield: 62.0%

2,4-difluorobromobenzene (348-57-2) + acetone (67-64-1) → 2-(2,4-difluorophenyl)propan-2-ol (51788-81-9)

Guidance literature:

With n-butyllithium; In diethyl ether; 1.) -78 deg C, 2.) -78 deg C to room temperature;

Reference yield:

methyl 2,4-difluorobenzoate (106614-28-2) + methyl iodide (74-88-4) → 2-(2,4-difluorophenyl)propan-2-ol (51788-81-9)

Guidance literature:

methyl iodide; With iodine; magnesium; In diethyl ether; for 1h; Inert atmosphere;

methyl 2,4-difluorobenzoate; In diethyl ether; at 0 - 5 ℃; Inert atmosphere;

DOI:10.1055/a-1625-9095

upstream raw materials:

2,4-difluorobromobenzene

acetone

2',4'-difluoroacetophenone

methylmagnesium bromide

Downstream raw materials:

2-(2,4-Difluorophenyl)propene